| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:57 UTC |
|---|
| Update Date | 2025-03-21 18:06:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00064412 |
|---|
| Frequency | 47.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16N4O3S |
|---|
| Molecular Mass | 332.0943 |
|---|
| SMILES | COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)n3)[nH]c2c1 |
|---|
| InChI Key | QYGKLYDLYZDARC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativessulfinyl compoundssulfoxides |
|---|
| Substituents | phenol etheretheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundpyrimidineorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
